SCHEMBL1758347

SCHEMBL1758347

CCOc1ccc(-c2cc(C(N)=O)ccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.59
CHEK2 O96017 1/20 0.54
KDM5B Q9UGL1 2/20 0.54
KDM5A P29375 1/20 0.54
KDM2B Q8NHM5 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
TTK P33981 1/20 0.52
MAPK8 P45983 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
AHR P35869 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALPL P05186 1/20 0.49
MAP4K4 O95819 1/20 0.48
NPC1 O15118 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25003135 0.86 ALDH1A1 (0.61) KDM5BKDM5AKDM2BKDM4CALDH1A1
SCHEMBL1758329 0.85 KDM1A (0.55) PARP10CHEK2KDM5BKDM5AKDM2B
SCHEMBL25002925 0.84 NPC1 (0.59) KDM5BKDM5AKDM2BKDM4CALDH1A1
SCHEMBL29932995 0.80 MAP4K4 (0.54) CHEK2KDM5BKDM2BKDM4CKMT2A
SCHEMBL1758360 0.80 PARP10 (0.57) PARP10CHEK2KDM5BALDH1A1KMT2A
SCHEMBL6679157 0.80 SMN1; SMN2 (0.48) KDM5BKDM2BKDM4CALDH1A1KDM4E
SCHEMBL1758373 0.79 SCN9A (0.57) PARP10CHEK2KDM5BMAP4K4KDM4B
SCHEMBL1758489 0.79 SCN10A (0.62) CHEK2KDM5BKDM5AKDM2BKDM4C
SCHEMBL29932888 0.79 MAP4K4 (0.55) CHEK2KDM5BKMT2AMAPTMAP4K4
SCHEMBL28907344 0.79 KDM4B (0.56) CHEK2KDM5BKDM4CALPLMAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US disclosed
US-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 US disclosed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US disclosed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US disclosed
US-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 US disclosed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US disclosed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194627-A9 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C PARP10 2411/4885CHEK2 4679/4885KDM5B 1924/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C PARP10 2285/4885CHEK2 4653/4885KDM5B 1977/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D PARP10 3325/4885CHEK2 4843/4885KDM5B 1870/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C PARP10 2411/4885CHEK2 4679/4885KDM5B 1924/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.